4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide

C19H15N5O4S — CID 71482177

IUPAC4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3cc([N+](=O)[O-])ccc3n2-c2ncccn2)cc1
InChIInChI=1S/C19H15N5O4S/c1-13-3-6-16(7-4-13)29(27,28)22-18-12-14-11-15(24(25)26)5-8-17(14)23(18)19-20-9-2-10-21-19/h2-12,22H,1H3
InChIKeyVZMBROFPNJTPOV-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.44
Rot. Bonds5

About 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide

4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide (PubChem CID 71482177) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
PubChem CID71482177
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC Name4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3cc([N+](=O)[O-])ccc3n2-c2ncccn2)cc1
InChIInChI=1S/C19H15N5O4S/c1-13-3-6-16(7-4-13)29(27,28)22-18-12-14-11-15(24(25)26)5-8-17(14)23(18)19-20-9-2-10-21-19/h2-12,22H,1H3
InChIKeyVZMBROFPNJTPOV-UHFFFAOYSA-N
XLogP3.44
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide
CID 71481878
N-[2-(1-ethyl-5-nitrobenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 91823769
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(3,5-dinitrophenyl)-4-methylbenzenesulfonamide
CID 169370127
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122297886
4-methyl-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)benzenesulfonamide
CID 169371446
4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
CID 142650220
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371685
2-methyl-1-(4-methylphenyl)-5-nitrobenzimidazole
CID 622425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide (CID 71482177) is 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3cc([N+](=O)[O-])ccc3n2-c2ncccn2)cc1.
What is the InChIKey of 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
The InChIKey is VZMBROFPNJTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-13-3-6-16(7-4-13)29(27,28)22-18-12-14-11-15(24(25)26)5-8-17(14)23(18)19-20-9-2-10-21-19/h2-12,22H,1H3.
What are the key properties of 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide?
4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide has a molecular weight of 409.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-nitro-1-pyrimidin-2-ylindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).